File: smi_isomorphism_021.sh

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#!/bin/bash

echo -e "XXXXXXX\tC(\C=C\C(=O)O)(=O)O.C(\C=C\C(=O)[O-])(=O)[O-].C(C)(C)NC(=[NH+]C(C)C)NC(C)C.C(C)(C)NC(=[NH+]C(C)C)NC(C)C\tC(=[NH+]C(C)C)(NC(C)C)NC(C)C.OC(=O)/C=C/C(=O)O.[O-]C(=O)/C=C/C(=O)[O-].C(=[NH+]C(C)C)(NC(C)C)NC(C)C" \
    | smi_isomorphism